5-[(3-chloroanilino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide

C15H16ClN3O2 — CID 77065750

IUPAC5-[(3-chloroanilino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
SMILESCOc1ccc(CNc2cccc(Cl)c2)cc1C(N)=NO
InChIInChI=1S/C15H16ClN3O2/c1-21-14-6-5-10(7-13(14)15(17)19-20)9-18-12-4-2-3-11(16)8-12/h2-8,18,20H,9H2,1H3,(H2,17,19)
InChIKeyLEKJISNVTRYLEY-UHFFFAOYSA-N
MW305.77 g/mol
LogP3.06
Rot. Bonds5

About 5-[(3-chloroanilino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide

5-[(3-chloroanilino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide (PubChem CID 77065750) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 5-[(3-chloroanilino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name5-[(3-chloroanilino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
PubChem CID77065750
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name5-[(3-chloroanilino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
SMILESCOc1ccc(CNc2cccc(Cl)c2)cc1C(N)=NO
InChIInChI=1S/C15H16ClN3O2/c1-21-14-6-5-10(7-13(14)15(17)19-20)9-18-12-4-2-3-11(16)8-12/h2-8,18,20H,9H2,1H3,(H2,17,19)
InChIKeyLEKJISNVTRYLEY-UHFFFAOYSA-N
XLogP3.06
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(3-chloroanilino)methyl]-2,6-dimethoxyphenol
CID 28615702
N'-hydroxy-2-methoxy-5-(propylaminomethyl)benzenecarboximidamide
CID 77065913
5-[(cyclopropylmethylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065912
N'-hydroxy-2-methoxy-5-(methoxymethyl)benzenecarboximidamide
CID 77066179
N'-hydroxy-5-[(3-hydroxypropylamino)methyl]-2-methoxybenzenecarboximidamide
CID 77065859
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 43410779
3-[[3-(N'-hydroxycarbamimidoyl)-4-methoxyphenyl]methylamino]propanamide
CID 77065797
2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide
CID 2986546
3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408545
N'-hydroxy-5-[(1-hydroxybutan-2-ylamino)methyl]-2-methoxybenzenecarboximidamide
CID 77065806
3-(3-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 109028172
N'-hydroxy-2-methoxy-5-[[(1-methylcyclohexyl)amino]methyl]benzenecarboximidamide
CID 77065974

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloroanilino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide?
The IUPAC name of 5-[(3-chloroanilino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide (CID 77065750) is 5-[(3-chloroanilino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide.
What is the SMILES notation for 5-[(3-chloroanilino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide?
The canonical SMILES for 5-[(3-chloroanilino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide is COc1ccc(CNc2cccc(Cl)c2)cc1C(N)=NO.
What is the InChIKey of 5-[(3-chloroanilino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide?
The InChIKey is LEKJISNVTRYLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-21-14-6-5-10(7-13(14)15(17)19-20)9-18-12-4-2-3-11(16)8-12/h2-8,18,20H,9H2,1H3,(H2,17,19).
What are the key properties of 5-[(3-chloroanilino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide?
5-[(3-chloroanilino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide has a molecular weight of 305.77 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloroanilino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 77065750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).